N-[2,3-bis(oxidanyl)propyl]-4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-4-[[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Openeye Name: N-(2,3-dihydroxypropyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide CAS Name: N-(2,3-dihydroxypropyl)-4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]methyl]benzenesulfonamide IUPAC Name: N-(2,3-dihydroxypropyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Traditional Name: N-glyceryl-4-[[2-keto-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide Formula: C20H18F3NO6S MolecularWeight: 457.42023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F)S(=O)(=O)NCC(CO)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F)S(=O)(=O)NCC(CO)O

InChI

InChI=1S/C20H18F3NO6S/c21-20(22,23)17-9-19(27)30-18-6-3-13(8-16(17)18)7-12-1-4-15(5-2-12)31(28,29)24-10-14(26)11-25/h1-6,8-9,14,24-26H,7,10-11H2